diformyloxyboranyl formate

C3H3BO6 — CID 12938545

IUPACdiformyloxyboranyl formate
SMILESO=COB(OC=O)OC=O
InChIInChI=1S/C3H3BO6/c5-1-8-4(9-2-6)10-3-7/h1-3H
InChIKeyYYWZDUOROCFDRR-UHFFFAOYSA-N
MW145.86 g/mol
LogP-1.51
Rot. Bonds6

About diformyloxyboranyl formate

diformyloxyboranyl formate (PubChem CID 12938545) has the molecular formula C3H3BO6 and a molecular weight of 145.86 g/mol. Its IUPAC name is diformyloxyboranyl formate.

Molecular Properties

Compound Namediformyloxyboranyl formate
PubChem CID12938545
Molecular FormulaC3H3BO6
Molecular Weight145.86 g/mol
Exact Mass146.00
IUPAC Namediformyloxyboranyl formate
SMILESO=COB(OC=O)OC=O
InChIInChI=1S/C3H3BO6/c5-1-8-4(9-2-6)10-3-7/h1-3H
InChIKeyYYWZDUOROCFDRR-UHFFFAOYSA-N
XLogP-1.51
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.86
LogP ≤ 5-1.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diformyloxyboranyl formate?
The IUPAC name of diformyloxyboranyl formate (CID 12938545) is diformyloxyboranyl formate.
What is the SMILES notation for diformyloxyboranyl formate?
The canonical SMILES for diformyloxyboranyl formate is O=COB(OC=O)OC=O.
What is the InChIKey of diformyloxyboranyl formate?
The InChIKey is YYWZDUOROCFDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3BO6/c5-1-8-4(9-2-6)10-3-7/h1-3H.
What are the key properties of diformyloxyboranyl formate?
diformyloxyboranyl formate has a molecular weight of 145.86 g/mol, XLogP of -1.51, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diformyloxyboranyl formate is sourced from PubChem (CID 12938545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).